CID 147351958

3-[3-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)propoxy]propanoic acid

Structural Information

Molecular Formula
C21H23NO5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCOCCC(=O)O
InChI
InChI=1S/C21H23NO5/c23-20(24)10-13-26-12-5-11-22-21(25)27-14-19-17-8-3-1-6-15(17)16-7-2-4-9-18(16)19/h1-4,6-9,19H,5,10-14H2,(H,22,25)(H,23,24)
InChIKey
DFONVFIJNLSUGE-UHFFFAOYSA-N
Compound name
3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.15762 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.164896 187.0
[M+Na]+ 392.146838 191.4
[M-H]- 368.150344 190.1
[M+NH4]+ 387.191443 201.6
[M+K]+ 408.120778 187.7
[M+H-H2O]+ 352.154880 179.4
[M+HCOO]- 414.155821 206.5
[M+CH3COO]- 428.171471 216.3
[M+Na-2H]- 390.132286 189.2
[M]+ 369.15707142 191.8
[M]- 369.15816858 191.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.